ELSI: A unified software interface for Kohn–Sham electronic structure solvers - Yu, Victor Wen-zhe; Corsetti, Fabiano; García, Alberto; Huhn, William P.; Jacquelin, Mathias; Jia, Weile; Lange, Björn; Lin, Lin; Lu, Jianfeng; Mi, Wenhui; Seifitokaldani, Ali; Vázquez-Mayagoitia, Álvaro; et al. (Computer physics communications, 2018)
Keywords: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; Density-Functional Theory; Kohn-Sham eigenvalue problem; MATHEMATICS AND COMPUTING; Parallel computing; Density-functional theory; Parallel computing; Kohn–Sham eigenvalue problem